1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol

C18H21ClN2O3 — CID 166940512

IUPAC1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
SMILESCC(O)(c1ccc2cnc(Cl)cc2n1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21ClN2O3/c1-17(22,13-4-6-18(7-5-13)23-8-9-24-18)15-3-2-12-11-20-16(19)10-14(12)21-15/h2-3,10-11,13,22H,4-9H2,1H3
InChIKeyJFFFGHAPQDCSIZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.42
Rot. Bonds2

About 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol

1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol (PubChem CID 166940512) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
PubChem CID166940512
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
SMILESCC(O)(c1ccc2cnc(Cl)cc2n1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21ClN2O3/c1-17(22,13-4-6-18(7-5-13)23-8-9-24-18)15-3-2-12-11-20-16(19)10-14(12)21-15/h2-3,10-11,13,22H,4-9H2,1H3
InChIKeyJFFFGHAPQDCSIZ-UHFFFAOYSA-N
XLogP3.42
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol?
The IUPAC name of 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol (CID 166940512) is 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol.
What is the SMILES notation for 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol?
The canonical SMILES for 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol is CC(O)(c1ccc2cnc(Cl)cc2n1)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol?
The InChIKey is JFFFGHAPQDCSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-17(22,13-4-6-18(7-5-13)23-8-9-24-18)15-3-2-12-11-20-16(19)10-14(12)21-15/h2-3,10-11,13,22H,4-9H2,1H3.
What are the key properties of 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol?
1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol has a molecular weight of 348.83 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol is sourced from PubChem (CID 166940512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).